Glycoside
...
GD150250

Name:
3-{2'-hydroxy-5'-[3-(3-hydroxypropoxy)-3-oxopropyl]-3',5-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl}propanoic acid

Formula:
C29H38O14

Smiles:
COc1cc(CCC(=O)OCCCO)cc(-c2cc(CCC(=O)O)cc(OC)c2OC2OC(CO)C(O)C(O)C2O)c1O

Aglycone:
COc1cc(CCC(=O)O)cc(-c2cc(CCC(=O)OCCCO)cc(OC)c2O)c1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.52
AlogP: 0.13 Num_rotatable_bonds: 15
MolWt: 610.61 Num_heavy_atoms: 43
TPSA: 221.9 NumAromaticRings: 2

Unique Aglycone
AD60033
Formula: C23H28O9

Smiles:
COc1cc(CCC(=O)O)cc(-c2cc(CCC(=O)OCCCO)cc(OC)c2O)c1O
HBA: 9 RingCount: 2
HBD: 4 FractionCSP3: 0.39
AlogP: 2.66 Num_rotatable_bonds: 12
MolWt: 448.47 Num_heavy_atoms: 32
TPSA: 142.75 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O